Molecular Properties | |
SMILES: | O=C1C(c2cccc(Cl)c2)CCN1c1cncc2ccccc12 |
MW: | 322.09 |
Fraction sp3: | 0.16 |
HBA: | 2 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 33.2 |
cLogP: | 4.41 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activity Data | |
IC50 (µM) - Fluorescence: | 1.26810244659748 |
IC50 (µM) - RapidFire: | 0.865708218995716 |
Order Status | |
Ordered: | 2020-07-25 |
Synthesis Location: | enamine |
Shipped: | 2020-10-06 |
PET-UNK-c9c1e0d8-4
1.000
GIA-UNK-80c9bc96-1
1.000
EDG-MED-5d232de5-7
1.000
PET-UNK-c9c1e0d8-3
0.808
BEN-DND-d1eb1f41-15
0.705
MIC-UNK-50cce87d-7
0.622
PET-UNK-7b413b46-3
0.619
PET-UNK-7b413b46-7
0.619
MIC-UNK-50cce87d-6
0.613
BEN-DND-d1eb1f41-7
0.610
MAT-POS-24589f88-14
0.610
MIC-UNK-50cce87d-5
0.610
MIC-UNK-50cce87d-8
0.607
PET-UNK-7b413b46-1
0.602
PET-UNK-7b413b46-5
0.602
VLA-UCB-1dbca3b4-10
0.602
PET-UNK-689df078-1
0.602
ALP-UNI-58319883-2
0.595
PET-UNK-431b3bfb-1
0.595
PET-UNK-3e354a91-1
0.588
ALP-POS-e0fe77e5-1
0.585
ALP-UNI-3735e77e-1
0.585
VLA-UCB-1dbca3b4-6
0.573
ALP-POS-ce760d3f-8
0.573
PET-UNK-7b413b46-2
0.573
PET-UNK-7b413b46-6
0.573
MIC-UNK-0a05c952-2
0.568
EDJ-MED-e66f2cc5-1
0.550
PET-UNK-abc197b8-1
0.547
VLA-UCB-1dbca3b4-18
0.547
MIC-UNK-d854bf4c-3
0.543
MIC-UNK-d854bf4c-7
0.537
ALP-POS-df536be7-4
0.537
DAR-DIA-f6ee7aeb-1
0.536
PET-UNK-7b413b46-4
0.534
PET-UNK-5ddd54c7-2
0.534
PET-UNK-7a31b064-1
0.534
PET-UNK-7b413b46-8
0.534
MIC-UNK-50cce87d-11
0.528
MIC-UNK-50cce87d-12
0.527
MIC-UNK-0a05c952-1
0.522
EDJ-MED-28b38b9b-2
0.520
VLA-UCB-1dbca3b4-17
0.518
PET-UNK-4dc48bbe-6
0.518
MIC-UNK-50cce87d-10
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MIC-UNK-50cce87d-9
0.517
PET-UNK-7a31b064-2
0.516
PET-UNK-7be94445-2
0.512
MIC-UNK-d854bf4c-1
0.510
MIC-UNK-d854bf4c-5
0.505
EDJ-MED-28b38b9b-3
0.500
MIC-UNK-9582b2c5-1
0.500
VLA-UNK-db5e3064-2
0.500
PET-UNK-7be94445-1
0.500
ALP-UNI-dbb9503d-1
0.494
MAT-POS-d8472c4f-1
0.494
MAT-POS-8695a11f-3
0.494
MAT-POS-8695a11f-1
0.494
PET-UNK-689df078-3
0.489
EDJ-MED-28b38b9b-1
0.485
PET-UNK-689df078-4
0.483
DAR-DIA-0f7b7cd9-7
0.482
ALP-UNI-dbb9503d-2
0.473
BEN-DND-d1eb1f41-9
0.473
VLA-UNK-db5e3064-1
0.473
PET-UNK-689df078-2
0.473
ALP-POS-bb8a3193-4
0.472
EDJ-MED-96f6b92c-1
0.467
PET-UNK-5ddd54c7-1
0.463
BEN-DND-d1eb1f41-8
0.462
ALP-UNI-58319883-1
0.461
DAR-DIA-f6ee7aeb-6
0.461
DAR-DIA-0f7b7cd9-5
0.461
ALP-POS-bb8a3193-8
0.455
PET-UNK-194f9da3-1
0.453
PET-UNK-194f9da3-2
0.448
DAR-DIA-5d6f1b43-12
0.447
DAR-DIA-5d6f1b43-10
0.438
VLA-UCB-1dbca3b4-12
0.436
VLA-UCB-1dbca3b4-3
0.432
MAT-POS-a9372f04-1
0.432
MIC-UNK-9582b2c5-3
0.431
JUL-TUD-06b2044f-112
0.430
DAR-DIA-6be260fc-3
0.429
VLA-UCB-1dbca3b4-13
0.429
MIC-UNK-d854bf4c-4
0.416
ALP-POS-41e2080f-1
0.414
EDJ-MED-94fddcec-4
0.414
MAT-POS-983b399a-1
0.414
ALP-POS-477dc5b7-4
0.414
DAR-DIA-0f7b7cd9-9
0.414
YVE-CNR-132fc2df-1
0.414
EDJ-MED-d4864bdc-3
0.414
EDJ-MED-159244ea-1
0.414
JAG-UCB-f37eaa14-6
0.413
DAR-DIA-6be260fc-2
0.412
MIC-UNK-d854bf4c-8
0.412
DAR-DIA-6be260fc-5
0.410
ALP-POS-bb8a3193-5
0.409
JAG-UCB-f37eaa14-3
0.408